1-octyl-2H-pyridine

C13H23N — CID 19876511

IUPAC1-octyl-2H-pyridine
SMILESCCCCCCCCN1C=CC=CC1
InChIInChI=1S/C13H23N/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12H,2-6,8,11,13H2,1H3
InChIKeyLJOSVSJNDPICFP-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.73
Rot. Bonds7

About 1-octyl-2H-pyridine

1-octyl-2H-pyridine (PubChem CID 19876511) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-octyl-2H-pyridine.

Molecular Properties

Compound Name1-octyl-2H-pyridine
PubChem CID19876511
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-octyl-2H-pyridine
SMILESCCCCCCCCN1C=CC=CC1
InChIInChI=1S/C13H23N/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12H,2-6,8,11,13H2,1H3
InChIKeyLJOSVSJNDPICFP-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-octyl-2H-pyridine?
The IUPAC name of 1-octyl-2H-pyridine (CID 19876511) is 1-octyl-2H-pyridine.
What is the SMILES notation for 1-octyl-2H-pyridine?
The canonical SMILES for 1-octyl-2H-pyridine is CCCCCCCCN1C=CC=CC1.
What is the InChIKey of 1-octyl-2H-pyridine?
The InChIKey is LJOSVSJNDPICFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12H,2-6,8,11,13H2,1H3.
What are the key properties of 1-octyl-2H-pyridine?
1-octyl-2H-pyridine has a molecular weight of 193.33 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octyl-2H-pyridine is sourced from PubChem (CID 19876511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).